| Properties | Image |
|---|
| MNX_ID | MNXM320813 |
 |
| reference | slm:000443140 |
| formula | C31H49O22P4 |
| global charge | -7 |
| mol weight | 897.607 |
| InChIKey | GQZKHEAOEFPGMY-SCOSYRDOSA-G |
| InChI | InChI=1S/C31H56O22P4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(32)47-21-23(49-25(33)19-4-2)22-48-57(45,46)53-28-26(34)29(50-54(36,37)38)31(52-56(42,43)44)30(27(28)35)51-55(39,40)41/h5-6,8-9,11-12,23,26-31,34-35H,3-4,7,10,13-22H2,1-2H3,(H,45,46)(H2,36,37,38)(H2,39,40,41)(H2,42,43,44)/p-7/b6-5-,9-8-,12-11-/t23-,26+,27+,28-,29+,30-,31-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C31H56O22P4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(32)47-21-23(49-25(33)19-4-2)22-48-57(45,46)53-28-26(34)29(50-54(36,37)38)31(52-56(42,43)44)30(27(28)35)51-55(39,40)41/h5-6,8-9,11-12,23,26-31,34-35H,3-4,7,10,13-22H2,1-2H3,(H,45,46)(H2,36,37,38)(H2,39,40,41)(H2,42,43,44)/b6-5-,9-8-,12-11-/t23-,26+,27+,28-,29+,30-,31-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][C:24](=[O:32])[O:47][CH2:21][C@H:23]([CH2:22][O:48][P:57]([OH:45])(=[O:46])[O:53][C@@H:28]1[C@H:26]([OH:34])[C@H:29]([O:50][P:54]([OH:36])([OH:37])=[O:38])[C@@H:31]([O:52][P:56]([OH:42])([OH:43])=[O:44])[C@H:30]([O:51][P:55]([OH:39])([OH:40])=[O:41])[C@H:27]1[OH:35])[O:49][C:25]([CH2:19][CH2:4][CH3:2])=[O:33] |
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